Chemical Properties of Ethylene glycol iso-butyrate-2,2,4-trimethyl-3-oxovalerate

InChI

InChI=1S/C14H24O5/c1-9(2)11(15)14(5,6)13(17)19-8-7-18-12(16)10(3)4/h9-10H,7-8H2,1-6H3

InChI Key

KHCOOLZMVDKFHC-UHFFFAOYSA-N

Formula

C14H24O5

SMILES

CC(C)C(=O)OCCOC(=O)C(C)(C)C(=O)C(C)C

Molecular Weight¹

272.34

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.99; 749.38]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.05020e+01
Coefficient B			1.33392e+00
Coefficient C			-7.08100e-04
Coefficient D			1.03060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.99	J/mol×K	273.00	Calculated Property
Cp,gas	408.35	J/mol×K	353.78	Calculated Property
Cp,gas	474.90	J/mol×K	434.56	Calculated Property
Cp,gas	533.97	J/mol×K	515.33	Calculated Property
Cp,gas	585.88	J/mol×K	596.11	Calculated Property
Cp,gas	630.94	J/mol×K	676.89	Calculated Property
Cp,gas	669.50	J/mol×K	757.67	Calculated Property
Cp,gas	701.88	J/mol×K	838.44	Calculated Property
Cp,gas	728.40	J/mol×K	919.22	Calculated Property
Cp,gas	749.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039670; 0.0001150]	Pa×s	[354.55; 614.13]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.39079e+01
Coefficient B			2.97049e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			354.55
Temperature range, max.			614.13
η	0.0039670	Pa×s	354.55	Calculated Property
η	0.0021122	Pa×s	383.39	Calculated Property
η	0.0012283	Pa×s	412.23	Calculated Property
η	0.0007668	Pa×s	441.08	Calculated Property
η	0.0005072	Pa×s	469.92	Calculated Property
η	0.0003519	Pa×s	498.76	Calculated Property
η	0.0002541	Pa×s	527.60	Calculated Property
η	0.0001898	Pa×s	556.44	Calculated Property
η	0.0001459	Pa×s	585.28	Calculated Property
η	0.0001150	Pa×s	614.13	Calculated Property

Similar Compounds

Find more compounds similar to Ethylene glycol iso-butyrate-2,2,4-trimethyl-3-oxovalerate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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